5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole

C27H22F3N5O3S — CID 86298056

IUPAC5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
SMILESCOc1ccc(-c2cnnn2-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cnc(C(F)(F)F)c2C)cc1
InChIInChI=1S/C27H22F3N5O3S/c1-17-26(27(28,29)30)31-16-34(17)23-12-9-20(19-5-4-6-22(13-19)39(3,36)37)14-24(23)35-25(15-32-33-35)18-7-10-21(38-2)11-8-18/h4-16H,1-3H3
InChIKeyIGFWIEPIMACDLW-UHFFFAOYSA-N
MW553.57 g/mol
LogP5.53
Rot. Bonds6

About 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole

5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole (PubChem CID 86298056) has the molecular formula C27H22F3N5O3S and a molecular weight of 553.57 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
PubChem CID86298056
Molecular FormulaC27H22F3N5O3S
Molecular Weight553.57 g/mol
Exact Mass553.14
IUPAC Name5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
SMILESCOc1ccc(-c2cnnn2-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cnc(C(F)(F)F)c2C)cc1
InChIInChI=1S/C27H22F3N5O3S/c1-17-26(27(28,29)30)31-16-34(17)23-12-9-20(19-5-4-6-22(13-19)39(3,36)37)14-24(23)35-25(15-32-33-35)18-7-10-21(38-2)11-8-18/h4-16H,1-3H3
InChIKeyIGFWIEPIMACDLW-UHFFFAOYSA-N
XLogP5.53
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.57
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 90447108
1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]triazole
CID 122616833
5-[(4-chlorophenyl)methyl]-1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 90446963
1-methyl-5-[4-(3-methylsulfonylphenyl)-2-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 86276115
3-isocyano-3-methyl-1-[1-methyl-5-[4-(3-methylsulfonylphenyl)-2-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]pyrazol-3-yl]butan-1-one
CID 148579770
1-[5-[4-(ethoxymethyl)-3-methylsulfonylphenyl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(trifluoromethoxy)phenyl]triazole
CID 122616936
5-[(2-chlorophenyl)methyl]-1-[2-(2,4-dimethylimidazol-1-yl)-5-(3-methylsulfonylphenyl)phenyl]triazole
CID 122627771
[4-[4-[4-(difluoromethyl)-2-methylimidazol-1-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]-2-methylsulfonylphenyl]methanol
CID 122616816
3-[4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-3-[5-[4-(trifluoromethoxy)phenyl]triazol-1-yl]phenyl]-N-methylbenzenesulfonamide
CID 86276028
1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole
CID 59240491
4-[4-(difluoromethoxy)phenyl]-2-methyl-5-[5-(3-methylsulfonylphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-oxazole
CID 122586002
5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole
CID 59430393

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole (CID 86298056) is 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole is COc1ccc(-c2cnnn2-c2cc(-c3cccc(S(C)(=O)=O)c3)ccc2-n2cnc(C(F)(F)F)c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole?
The InChIKey is IGFWIEPIMACDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O3S/c1-17-26(27(28,29)30)31-16-34(17)23-12-9-20(19-5-4-6-22(13-19)39(3,36)37)14-24(23)35-25(15-32-33-35)18-7-10-21(38-2)11-8-18/h4-16H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole?
5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole has a molecular weight of 553.57 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole is sourced from PubChem (CID 86298056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).